4-[(2S,3R)-3-methyloxan-2-yl]oxybut-1-ynyl-phenyl-iodanium; tris(fluoranyl)methanesulfonate

Systemtic Name: 4-[(2S,3R)-3-methyloxan-2-yl]oxybut-1-ynyl-phenyl-iodanium; tris(fluoranyl)methanesulfonate Openeye Name: 4-[(2S,3R)-3-methyltetrahydropyran-2-yl]oxybut-1-ynyl-phenyl-iodonium; trifluoromethanesulfonate CAS Name: 4-[[(2S,3R)-3-methyl-2-oxanyl]oxy]but-1-ynyl-phenyliodonium; trifluoromethanesulfonate IUPAC Name: 4-[(2S,3R)-3-methyloxan-2-yl]oxybut-1-ynyl-phenyliodanium; trifluoromethanesulfonate Traditional Name: 4-[(2S,3R)-3-methyltetrahydropyran-2-yl]oxybut-1-ynyl-phenyl-iodonium triflate Formula: C17H20F3IO5S MolecularWeight: 520.30238

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCOC1OCCC#C[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

Isomeric SMILES

C[C@@H]1CCCO[C@H]1OCCC#C[I+]C2=CC=CC=C2.C(F)(F)(F)S(=O)(=O)[O-]

InChI

InChI=1S/C16H20IO2.CHF3O3S/c1-14-8-7-13-19-16(14)18-12-6-5-11-17-15-9-3-2-4-10-15;2-1(3,4)8(5,6)7/h2-4,9-10,14,16H,6-8,12-13H2,1H3;(H,5,6,7)/q+1;/p-1/t14-,16-;/m1./s1